from django.contrib.auth.decorators import login_required from django.shortcuts import render, redirect, render_to_response from collections import deque, namedtuple import networkx as nx import numpy as np import matplotlib as plt plt.use('Agg') import matplotlib.pyplot as plt plt.switch_backend('Agg') import pylab from matplotlib.figure import Figure import numpy as np import pandas as pd @login_required def edged(request): # we'll use infinity inf = float('inf') Edge = namedtuple('Edge', 'start, end, cost') def make_edge(start, end, cost=1): return Edge(start, end, cost) class Graph: def __init__(self, edges): # let's check that the data is right wrong_edges = [i for i in edges if len(i) not in [2, 3]]
from __future__ import unicode_literals, print_function # Author: Marnik Bercx (University of Antwerp), Kamal Choudhary (NIST) # Forked and adjusted from https://github.com/ldwillia/SL3ME """ Calculate spectroscopy limited maximum efficiency (SLME) given dielectric function data """ import os import numpy as np import matplotlib as plt import scipy.constants as constants from scipy.integrate import simps import matplotlib.pyplot as plt plt.switch_backend("agg") import glob, os, math from pymatgen.io.vasp.outputs import Vasprun from numpy import loadtxt, arange, logspace from math import pi, sqrt from scipy.constants import physical_constants, speed_of_light from pymatgen.electronic_structure.core import Spin eV_to_recip_cm = 1.0 / (physical_constants["Planck constant in eV s"][0] * speed_of_light * 1e2) def nelec_out(out=""): f = open(out, "r") lines = f.read().splitlines() f.close()
from __future__ import unicode_literals, print_function # Author: Marnik Bercx (University of Antwerp), Kamal Choudhary (NIST) # Forked and adjusted from https://github.com/ldwillia/SL3ME """ Calculate spectroscopy limited maximum efficiency (SLME) given dielectric function data """ import os import numpy as np import matplotlib as plt import scipy.constants as constants from scipy.integrate import simps import matplotlib.pyplot as plt plt.switch_backend('agg') import glob,os,math from pymatgen.io.vasp.outputs import Vasprun from numpy import loadtxt, arange, logspace from math import pi, sqrt from scipy.constants import physical_constants, speed_of_light from pymatgen.electronic_structure.core import Spin eV_to_recip_cm = 1.0/(physical_constants['Planck constant in eV s'][0]*speed_of_light*1e2) def nelec_out(out=''): f=open(out,'r') lines=f.read().splitlines() f.close()